Nuclear Quadrupole Resonance of 2,5-Dichlorophenol and 2,6-Dichlorophenol

Abstract

Zeeman effect studies of ^<35>Cl nuclear quadrupole resonance were carried out at room temperatute in single crystals of 2,5-dichlorophenol and 2,6-dichlorophenol. In 2,5-diclorophenol two physically nonequivalent field gradients for each chlorine atom wete found. The asymmetry parameters for the two chlorine atoms were 0.072 ± 0.002 and 0.080 ± 0.002 for the lower and the higher resonance lines, respectively. In 2,6-dichlorophenol, four nonequivalent field gradients were found for each chlorine atom in the 2 and 6 positions. The ctystal was identified as belonging to an orthorhombic system. The asymmetry parameters were 0.071 ± 0.00l and 0.075 ± 0.001, respectively, for the two chlorine atoms corresponding to the lower and higher tesonance lines.
It was revealed that in 2,6-dichlorophenol the molecule is somewhat puckered. The bond characters of the C－Cl bonds were estimated using experimental asymmetry parameters.